A New Copper（I） Complex Based on Imidazole and Triphenyl- phosphine Ligands： Synthesis, Structure, Third-Order NLO, and Fluorescence Properties  

作　　者：刘法谦 金燕玲 刘保成 李荣勋 邓月义 李伟华 建方方 

机构地区：[1]Engineering Research Center of High Performance Polymer&Molding Technology,Ministry of Education,Qingdao University of Science and Technology,Qingdao,Shandong 266042,Chinaa Engineering Research Center of High Performance Polymer&Molding Technology,Ministry of Education,Qingdao University of Science and Technology,Qingdao,Shandong 266042,China [2]institute of Oceanology,Chinese Academy of Sciences,Qingdao,Shandong 266071,China [3]New Materials&Function Coordination Chemistry Laboratory,Qingdao University of Science and Technology,Qingdao,Shandong 266042,China

出　　处：《Chinese Journal of Chemistry》2012年第5期1069-1074,共6页中国化学（英文版）

基　　金：Acknowledgement This work was supported by the NSF of China （No. 20871072）, the NSF of Shandong Province （No. 2009ZRA02071）, the Scientific Development Plan of University in Shandong Province （No. J09LB53）, and the Doctoral Science Foundation of QUST.

摘　　要：A new candidate [Cu（PPh3）2Him]Br （1, PPh3 =triphenylphosphine, Him= 1-H-imidazole） for nonlinear optical （NLO） materials has been synthesized and characterized crystallographically. The third-order NLO optical properties were measured by the Z-scan technique with an 8 ns pulsed laser at 532 nm. Compound 1 exhibits strong NLO absorptive abilities [a2=（61±5）×10^-12] and effective self-focusing performance [n2=（15±3）×10^-18 m^2·W^-1] in 1.01×10^-4 molodm 3 DMF solution. The compound also exhibits luminescence in DMF solution at room temperature and shows narrow emission with maximum at 382 nm. The electronic structure and photoluminescent process were investigated by means of TD-DFT calculations. The results suggest that the contribution to the frontier orbitals from the Cu-Br σ bond plays a crucial role in its linear optical properties, and the origin of luminescence is attrib- utable to the π＊ → n transitions.A new candidate [Cu（PPh3）2Him]Br （1, PPh3 =triphenylphosphine, Him= 1-H-imidazole） for nonlinear optical （NLO） materials has been synthesized and characterized crystallographically. The third-order NLO optical properties were measured by the Z-scan technique with an 8 ns pulsed laser at 532 nm. Compound 1 exhibits strong NLO absorptive abilities [a2=（61±5）×10^-12] and effective self-focusing performance [n2=（15±3）×10^-18 m^2·W^-1] in 1.01×10^-4 molodm 3 DMF solution. The compound also exhibits luminescence in DMF solution at room temperature and shows narrow emission with maximum at 382 nm. The electronic structure and photoluminescent process were investigated by means of TD-DFT calculations. The results suggest that the contribution to the frontier orbitals from the Cu-Br σ bond plays a crucial role in its linear optical properties, and the origin of luminescence is attrib- utable to the π＊ → n transitions.

关 键 词：third-order NLO properties luminescence TD-DFT copper（I） complex 

分 类 号：O437[机械工程—光学工程] TQ265.1[理学—光学]